2-[4-[(4-chlorophenyl)methoxy]-5-fluoro-1-methylindol-3-yl]-N-methylethanamine

C19H20ClFN2O — CID 50997398

IUPAC2-[4-[(4-chlorophenyl)methoxy]-5-fluoro-1-methylindol-3-yl]-N-methylethanamine
SMILESCNCCc1cn(C)c2ccc(F)c(OCc3ccc(Cl)cc3)c12
InChIInChI=1S/C19H20ClFN2O/c1-22-10-9-14-11-23(2)17-8-7-16(21)19(18(14)17)24-12-13-3-5-15(20)6-4-13/h3-8,11,22H,9-10,12H2,1-2H3
InChIKeyFMYVAZLXHOCVLA-UHFFFAOYSA-N
MW346.83 g/mol
LogP4.31
Rot. Bonds6

About 2-[4-[(4-chlorophenyl)methoxy]-5-fluoro-1-methylindol-3-yl]-N-methylethanamine

2-[4-[(4-chlorophenyl)methoxy]-5-fluoro-1-methylindol-3-yl]-N-methylethanamine (PubChem CID 50997398) has the molecular formula C19H20ClFN2O and a molecular weight of 346.83 g/mol. Its IUPAC name is 2-[4-[(4-chlorophenyl)methoxy]-5-fluoro-1-methylindol-3-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4-[(4-chlorophenyl)methoxy]-5-fluoro-1-methylindol-3-yl]-N-methylethanamine
PubChem CID50997398
Molecular FormulaC19H20ClFN2O
Molecular Weight346.83 g/mol
Exact Mass346.12
IUPAC Name2-[4-[(4-chlorophenyl)methoxy]-5-fluoro-1-methylindol-3-yl]-N-methylethanamine
SMILESCNCCc1cn(C)c2ccc(F)c(OCc3ccc(Cl)cc3)c12
InChIInChI=1S/C19H20ClFN2O/c1-22-10-9-14-11-23(2)17-8-7-16(21)19(18(14)17)24-12-13-3-5-15(20)6-4-13/h3-8,11,22H,9-10,12H2,1-2H3
InChIKeyFMYVAZLXHOCVLA-UHFFFAOYSA-N
XLogP4.31
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.83
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-chlorophenyl)methoxy]-5-fluoro-1-methylindol-3-yl]-N-methylethanamine?
The IUPAC name of 2-[4-[(4-chlorophenyl)methoxy]-5-fluoro-1-methylindol-3-yl]-N-methylethanamine (CID 50997398) is 2-[4-[(4-chlorophenyl)methoxy]-5-fluoro-1-methylindol-3-yl]-N-methylethanamine.
What is the SMILES notation for 2-[4-[(4-chlorophenyl)methoxy]-5-fluoro-1-methylindol-3-yl]-N-methylethanamine?
The canonical SMILES for 2-[4-[(4-chlorophenyl)methoxy]-5-fluoro-1-methylindol-3-yl]-N-methylethanamine is CNCCc1cn(C)c2ccc(F)c(OCc3ccc(Cl)cc3)c12.
What is the InChIKey of 2-[4-[(4-chlorophenyl)methoxy]-5-fluoro-1-methylindol-3-yl]-N-methylethanamine?
The InChIKey is FMYVAZLXHOCVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O/c1-22-10-9-14-11-23(2)17-8-7-16(21)19(18(14)17)24-12-13-3-5-15(20)6-4-13/h3-8,11,22H,9-10,12H2,1-2H3.
What are the key properties of 2-[4-[(4-chlorophenyl)methoxy]-5-fluoro-1-methylindol-3-yl]-N-methylethanamine?
2-[4-[(4-chlorophenyl)methoxy]-5-fluoro-1-methylindol-3-yl]-N-methylethanamine has a molecular weight of 346.83 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-chlorophenyl)methoxy]-5-fluoro-1-methylindol-3-yl]-N-methylethanamine is sourced from PubChem (CID 50997398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).